Publications by the researcher in collaboration with Horacio E. Pérez Sánchez (16)

2021

  1. METADOCK 2: a high-throughput parallel metaheuristic scheme for molecular docking

    Bioinformatics, Vol. 37, Núm. 11, pp. 1515-1520

2020

  1. QN-Docking: An innovative molecular docking methodology based on Q-Networks

    Applied Soft Computing Journal, Vol. 96

2019

  1. A methodology for evaluating multi-objective evolutionary feature selection for classification in the context of virtual screening

    Soft Computing, Vol. 23, Núm. 18, pp. 8775-8800

2018

  1. Accelerating drugs discovery with deep reinforcement learning: An early approach

    ACM International Conference Proceeding Series

2015

  1. Enhancing the parallelization of non-bonded interactions kernel for virtual screening on GPUs

    Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)

2014

  1. A performance/cost evaluation for a GPU-based drug discovery application on volunteer computing

    BioMed Research International, Vol. 2014

  2. A performance/cost model for a CUDA drug discovery application on physical and public cloud infrastructures

    Concurrency Computation Practice and Experience

  3. Toward energy efficiency in heterogeneous processors: Findings on virtual screening methods

    Concurrency and Computation: Practice and Experience

2013

  1. Accelerated conformational entropy calculations using graphic processing units

    Journal of Chemical Information and Modeling, Vol. 53, Núm. 8, pp. 2057-2064

  2. Improving drug discovery using a neural networks based parallel scoring function

    Proceedings of the International Joint Conference on Neural Networks

2012

  1. Accelerating grid kernels for virtual screening on graphics processing units

    Advances in Parallel Computing

  2. High-Throughput parallel blind Virtual Screening using BINDSURF

    BMC Bioinformatics, Vol. 13, Núm. SUPPL 1

  3. Parallelization of virtual screening in drug discovery on massively parallel architectures

    Proceedings - 20th Euromicro International Conference on Parallel, Distributed and Network-Based Processing, PDP 2012

2011

  1. A pipeline pilot based SOAP implementation of FlexScreen for high-throughput virtual screening

    CEUR Workshop Proceedings

  2. Accelerating multiple target drug screening on GPUs

    Proceedings of the 9th International Conference on Computational Methods in Systems Biology, CMSB'11

  3. Effective parallelization of non-bonded interactions kernel for virtual screening on GPUs

    Advances in Intelligent and Soft Computing